#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tmc s GLN 2 N 0.00 4.32 0.04 0.00 -0.21 -1.26 -4.52 119.66 118.03 1tmc s GLN 2 Ca 0.00 0.80 0.03 0.00 0.02 0.00 0.00 55.36 56.22 1tmc s GLN 2 Cb 0.00 -3.52 -0.02 0.00 1.00 0.00 0.00 33.01 30.47 1tmc s GLN 2 CO 0.00 -0.12 -0.11 1.03 -2.12 0.00 0.00 175.29 173.97 1tmc s ARG 3 N 1.48 0.69 0.06 2.91 0.52 0.61 -4.91 118.95 120.32 1tmc s ARG 3 Ca 0.34 -0.73 -0.13 0.00 -0.52 0.00 0.00 55.73 54.69 1tmc s ARG 3 Cb -0.17 -0.60 -0.06 0.00 0.52 0.00 0.00 34.95 34.64 1tmc s ARG 3 CO 0.14 0.14 0.44 -0.08 0.02 0.00 0.00 175.30 175.95 1tmc s THR 4 N -1.05 5.01 0.56 0.02 -1.32 -1.26 -1.88 115.64 115.72 1tmc s THR 4 Ca -0.04 0.70 -0.20 0.00 -1.21 0.00 0.00 61.69 60.94 1tmc s THR 4 Cb -0.08 -3.70 -0.05 0.00 -1.51 0.00 0.00 72.50 67.16 1tmc s THR 4 CO 0.01 0.39 1.24 -2.16 -2.21 0.00 0.00 174.62 171.90 1tmc s PRO 5 N -1.59 3.15 -0.08 7.08 0.04 -1.26 -4.34 135.00 137.99 1tmc s PRO 5 Ca 0.30 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 63.26 1tmc s PRO 5 Cb -0.15 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 1tmc s PRO 5 CO 0.17 -1.09 0.02 0.15 0.04 0.00 0.00 177.00 176.28 1tmc s LYS 6 N -3.09 3.02 -0.10 4.56 -0.14 0.60 -4.93 119.74 119.66 1tmc s LYS 6 Ca 0.73 -0.39 0.01 0.00 -1.36 0.00 0.00 55.97 54.97 1tmc s LYS 6 Cb -0.33 -2.83 0.02 0.00 -1.68 0.00 0.00 37.83 33.01 1tmc s LYS 6 CO 0.38 0.71 -0.12 0.42 -0.76 0.00 0.00 175.35 175.97 1tmc s ILE 7 N -0.92 1.28 -0.14 2.17 1.01 -1.26 -1.70 121.20 121.65 1tmc s ILE 7 Ca 0.14 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1tmc s ILE 7 Cb -0.11 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 41.17 1tmc s ILE 7 CO 0.03 0.40 -0.16 -1.58 0.00 0.00 0.00 174.94 173.64 1tmc s GLN 8 N 1.14 2.41 -0.14 2.79 0.74 -0.63 -4.97 119.66 121.00 1tmc s GLN 8 Ca -0.05 -0.61 -0.05 0.00 0.05 0.00 0.00 55.36 54.71 1tmc s GLN 8 Cb -0.14 -2.14 -0.03 0.00 1.10 0.00 0.00 33.01 31.79 1tmc s GLN 8 CO -0.03 -0.19 0.02 0.08 -0.55 0.00 0.00 175.29 174.63 1tmc s VAL 9 N 1.33 4.46 -0.02 1.34 1.01 -1.26 -0.71 120.40 126.55 1tmc s VAL 9 Ca 0.02 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 1tmc s VAL 9 Cb -0.13 -2.95 0.09 0.00 0.00 0.00 0.00 36.38 33.38 1tmc s VAL 9 CO -0.09 0.52 0.78 -0.72 0.00 0.00 0.00 175.10 175.60 1tmc s TYR 10 N -0.07 -0.50 0.18 5.22 1.13 0.08 -4.68 117.35 118.72 1tmc s TYR 10 Ca 0.05 0.64 -0.15 0.00 -1.41 0.00 0.00 57.07 56.20 1tmc s TYR 10 Cb -0.12 0.48 -0.07 0.00 -1.10 0.00 0.00 41.96 41.14 1tmc s TYR 10 CO 0.02 -0.58 0.59 -1.54 -2.51 0.00 0.00 175.55 171.52 1tmc s SER 11 N -1.79 6.83 0.28 -0.18 1.04 -1.26 0.14 113.70 118.76 1tmc s SER 11 Ca -0.03 1.12 0.01 0.00 0.48 0.00 0.00 55.95 57.53 1tmc s SER 11 Cb -0.01 -2.31 0.53 0.00 0.10 0.00 0.00 66.02 64.34 1tmc s SER 11 CO -0.01 0.05 1.85 -0.09 0.98 0.00 0.00 173.24 176.02 1tmc h ARG 12 N 3.34 1.00 -5.98 4.02 2.43 -0.03 -3.42 114.38 115.73 1tmc h ARG 12 Ca -0.48 -0.06 -0.53 0.00 -0.81 0.00 0.00 59.98 58.10 1tmc h ARG 12 Cb 1.19 -0.23 -0.18 0.00 -0.42 0.00 0.00 29.97 30.34 1tmc h ARG 12 CO 0.66 0.66 -0.78 -1.01 -1.51 0.00 0.00 179.97 177.99 1tmc s HIS 13 N -5.97 1.87 0.11 2.20 3.76 -1.26 -4.98 115.29 111.02 1tmc s HIS 13 Ca -0.12 -0.46 -0.36 0.00 -0.15 0.00 0.00 55.06 53.97 1tmc s HIS 13 Cb 0.22 -0.93 -0.16 0.00 1.11 0.00 0.00 32.58 32.83 1tmc s HIS 13 CO 0.81 0.35 1.42 -2.30 -0.85 0.00 0.00 174.74 174.17 1tmc n PRO 14 N 0.25 1.49 -1.92 8.40 -0.02 -1.26 -4.85 135.00 137.09 1tmc n PRO 14 Ca -0.13 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.47 1tmc n PRO 14 Cb 0.57 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1tmc n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tmc s ALA 15 N 0.60 3.65 -0.25 3.55 0.00 -1.26 -4.98 121.76 123.07 1tmc s ALA 15 Ca 0.82 1.15 -0.02 0.00 0.00 0.00 0.00 51.96 53.91 1tmc s ALA 15 Cb -0.86 -3.73 0.13 0.00 0.00 0.00 0.00 23.12 18.67 1tmc s ALA 15 CO 0.44 -1.24 0.35 -1.21 0.00 0.00 0.00 175.76 174.11 1tmc s GLU 16 N 3.23 0.33 0.21 0.00 2.02 -1.26 -5.08 118.70 118.15 1tmc s GLU 16 Ca 0.76 0.38 -0.32 0.00 0.02 0.00 0.00 54.97 55.81 1tmc s GLU 16 Cb -0.38 -0.57 -0.14 0.00 0.10 0.00 0.00 34.13 33.13 1tmc s GLU 16 CO 0.33 -0.73 1.28 0.09 0.02 0.00 0.00 175.26 176.25 1tmc n ASN 17 N 5.35 2.04 0.00 -0.19 5.03 -1.26 -2.21 115.26 124.03 1tmc n ASN 17 Ca -0.03 1.14 0.00 0.00 0.87 0.00 0.00 54.58 56.56 1tmc n ASN 17 Cb 0.50 -1.32 0.00 0.00 -1.02 0.00 0.00 39.78 37.93 1tmc n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1tmc n GLY 18 N 2.04 0.36 0.00 7.41 0.00 -1.26 -5.06 105.19 108.69 1tmc n GLY 18 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1tmc n GLY 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tmc n LYS 19 N -1.71 3.76 -3.43 1.61 5.02 -0.94 -5.14 118.16 117.33 1tmc n LYS 19 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1tmc n LYS 19 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1tmc n LYS 19 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1tmc s SER 20 N 0.49 -0.55 0.00 4.39 1.04 -1.26 -4.63 113.70 113.18 1tmc s SER 20 Ca 0.00 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1tmc s SER 20 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1tmc s SER 20 CO 0.00 -0.96 0.00 -0.46 0.98 0.00 0.00 173.24 172.80 1tmc n ASN 21 N -0.35 0.00 -4.31 7.02 0.23 -1.24 -4.92 115.26 111.70 1tmc n ASN 21 Ca -0.17 0.00 -0.27 0.00 -0.53 0.00 0.00 54.58 53.61 1tmc n ASN 21 Cb 0.65 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 38.21 1tmc n ASN 21 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1tmc s PHE 22 N -3.67 2.00 -0.12 -2.53 0.40 -1.26 -1.42 117.98 111.38 1tmc s PHE 22 Ca 0.00 -0.39 -0.17 0.00 -0.60 0.00 0.00 56.93 55.76 1tmc s PHE 22 Cb 0.00 -1.14 -0.04 0.00 0.51 0.00 0.00 43.02 42.34 1tmc s PHE 22 CO 0.00 0.18 0.44 -1.17 0.70 0.00 0.00 175.22 175.37 1tmc s LEU 23 N -1.56 4.28 0.03 -0.37 2.96 0.65 0.75 118.68 125.41 1tmc s LEU 23 Ca 0.09 0.77 0.09 0.00 -0.22 0.00 0.00 54.13 54.86 1tmc s LEU 23 Cb -0.10 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 1tmc s LEU 23 CO 0.03 0.03 -0.25 0.20 -1.32 0.00 0.00 176.35 175.05 1tmc s ASN 24 N 0.52 3.28 -0.19 3.68 0.01 0.37 -2.01 114.94 120.60 1tmc s ASN 24 Ca 0.24 -0.54 -0.00 0.00 -0.71 0.00 0.00 52.86 51.85 1tmc s ASN 24 Cb -0.15 -0.36 0.05 0.00 0.41 0.00 0.00 41.25 41.20 1tmc s ASN 24 CO 0.09 0.27 -0.04 0.00 -1.51 0.00 0.00 177.10 175.91 1tmc s TYR 26 N 1.59 3.22 -0.16 0.00 5.04 0.12 -0.45 117.35 126.71 1tmc s TYR 26 Ca -0.01 -0.65 -0.07 0.00 -2.44 0.00 0.00 57.07 53.90 1tmc s TYR 26 Cb -0.16 -2.43 -0.04 0.00 0.35 0.00 0.00 41.96 39.68 1tmc s TYR 26 CO -0.07 -0.52 0.07 0.14 -1.34 0.00 0.00 175.55 173.82 1tmc s VAL 27 N 1.62 4.87 0.20 3.14 -7.23 0.54 -1.61 120.40 121.94 1tmc s VAL 27 Ca 0.04 -0.01 -0.13 0.00 -1.81 0.00 0.00 61.98 60.07 1tmc s VAL 27 Cb -0.18 -3.16 0.00 0.00 0.56 0.00 0.00 36.38 33.60 1tmc s VAL 27 CO 0.07 0.51 0.43 -0.94 -0.31 0.00 0.00 175.10 174.86 1tmc s SER 28 N -0.10 -0.09 -0.61 4.85 1.04 -0.69 0.01 113.70 118.11 1tmc s SER 28 Ca 0.07 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1tmc s SER 28 Cb -0.12 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1tmc s SER 28 CO 0.01 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1tmc n GLY 29 N -0.31 0.67 3.65 7.32 0.00 -0.17 -0.29 105.19 116.06 1tmc n GLY 29 Ca -0.06 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 1tmc n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1tmc s PHE 30 N -2.24 2.83 -0.26 1.61 -0.71 -1.18 -4.03 117.98 113.99 1tmc s PHE 30 Ca 0.00 -0.14 -0.18 0.00 -1.04 0.00 0.00 56.93 55.57 1tmc s PHE 30 Cb 0.00 -1.39 0.07 0.00 -1.21 0.00 0.00 43.02 40.50 1tmc s PHE 30 CO 0.00 0.51 0.67 -1.58 -1.34 0.00 0.00 175.22 173.48 1tmc s HIS 31 N -1.67 -0.92 0.94 3.49 2.46 -0.79 -0.34 115.29 118.45 1tmc s HIS 31 Ca 0.27 1.97 -0.16 0.00 0.47 0.00 0.00 55.06 57.61 1tmc s HIS 31 Cb -0.09 0.48 0.23 0.00 -0.13 0.00 0.00 32.58 33.06 1tmc s HIS 31 CO 0.18 -0.46 0.95 -0.35 -2.47 0.00 0.00 174.74 172.60 1tmc n PRO 32 N 3.77 -2.21 0.22 2.88 -0.04 -1.26 -0.28 135.00 138.07 1tmc n PRO 32 Ca -0.18 -1.51 0.08 0.00 -0.04 0.00 0.00 63.50 61.85 1tmc n PRO 32 Cb 0.57 -1.26 0.49 0.00 -0.04 0.00 0.00 33.50 33.26 1tmc n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1tmc h SER 33 N -2.09 0.00 -2.26 3.54 4.64 -1.99 -3.44 113.55 111.94 1tmc h SER 33 Ca -0.34 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.40 1tmc h SER 33 Cb 1.01 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.14 1tmc h SER 33 CO 0.23 0.27 0.99 -0.67 -0.87 0.00 0.00 176.83 176.78 1tmc n ASP 34 N -3.73 3.50 -3.54 4.97 2.03 -1.26 -4.94 116.55 113.58 1tmc n ASP 34 Ca -0.01 1.02 -0.14 0.00 0.52 0.00 0.00 54.79 56.18 1tmc n ASP 34 Cb 0.37 -1.45 -0.05 0.00 -0.72 0.00 0.00 41.12 39.28 1tmc n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1tmc s ILE 35 N 2.48 0.00 -0.10 5.18 2.07 -1.26 -4.64 121.20 124.94 1tmc s ILE 35 Ca 0.84 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.10 1tmc s ILE 35 Cb -0.62 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 40.98 1tmc s ILE 35 CO 0.42 0.00 -0.13 -0.70 -1.91 0.00 0.00 174.94 172.62 1tmc s GLU 36 N -1.32 1.93 -0.05 3.50 2.12 -0.17 -4.99 118.70 119.72 1tmc s GLU 36 Ca -0.05 -0.46 0.02 0.00 0.36 0.00 0.00 54.97 54.84 1tmc s GLU 36 Cb -0.00 -1.68 0.01 0.00 0.26 0.00 0.00 34.13 32.72 1tmc s GLU 36 CO 0.04 -0.07 -0.09 0.08 -0.54 0.00 0.00 175.26 174.69 1tmc s VAL 37 N 1.01 0.82 -0.01 3.70 1.01 -1.26 -0.07 120.40 125.60 1tmc s VAL 37 Ca -0.07 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1tmc s VAL 37 Cb -0.15 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1tmc s VAL 37 CO -0.01 0.28 -0.15 -1.81 0.00 0.00 0.00 175.10 173.40 1tmc s ASP 38 N 0.61 1.80 -0.20 3.32 1.01 0.73 -4.97 116.67 118.97 1tmc s ASP 38 Ca -0.10 -0.29 -0.13 0.00 0.71 0.00 0.00 52.55 52.74 1tmc s ASP 38 Cb -0.13 -0.20 -0.05 0.00 1.01 0.00 0.00 42.92 43.55 1tmc s ASP 38 CO 0.02 0.18 0.25 -0.76 0.21 0.00 0.00 175.17 175.07 1tmc s LEU 39 N -0.40 4.18 0.01 1.23 2.01 -1.26 0.02 118.68 124.47 1tmc s LEU 39 Ca 0.06 0.35 0.05 0.00 0.01 0.00 0.00 54.13 54.60 1tmc s LEU 39 Cb -0.06 -2.28 -0.03 0.00 0.01 0.00 0.00 46.19 43.83 1tmc s LEU 39 CO -0.00 0.06 -0.15 -0.76 1.01 0.00 0.00 176.35 176.51 1tmc s LEU 40 N 0.82 2.73 -0.27 1.79 1.43 0.11 -0.30 118.68 124.99 1tmc s LEU 40 Ca 0.13 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1tmc s LEU 40 Cb -0.13 -1.58 0.05 0.00 0.03 0.00 0.00 46.19 44.56 1tmc s LEU 40 CO 0.04 0.29 -0.06 -0.75 0.23 0.00 0.00 176.35 176.09 1tmc s LYS 41 N -1.21 2.36 -1.51 1.70 2.20 0.10 -1.37 119.74 122.01 1tmc s LYS 41 Ca 0.14 -1.29 -0.13 0.00 -0.36 0.00 0.00 55.97 54.34 1tmc s LYS 41 Cb -0.11 -3.01 0.08 0.00 -1.51 0.00 0.00 37.83 33.28 1tmc s LYS 41 CO 0.04 -0.58 0.98 0.09 -0.36 0.00 0.00 175.35 175.53 1tmc n ASN 42 N 4.52 -4.69 0.00 1.43 3.02 0.46 -1.74 115.26 118.26 1tmc n ASN 42 Ca -0.14 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 1tmc n ASN 42 Cb 0.43 -3.96 0.00 0.00 -0.61 0.00 0.00 39.78 35.64 1tmc n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tmc n GLY 43 N -1.71 1.10 3.72 7.41 0.00 -1.26 -5.03 105.19 109.43 1tmc n GLY 43 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1tmc n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tmc s GLU 44 N -0.18 2.87 0.10 1.61 2.02 -0.71 -5.03 118.70 119.38 1tmc s GLU 44 Ca 0.00 -0.59 -0.31 0.00 0.02 0.00 0.00 54.97 54.09 1tmc s GLU 44 Cb 0.00 -2.73 -0.08 0.00 0.10 0.00 0.00 34.13 31.42 1tmc s GLU 44 CO 0.00 0.62 1.41 1.03 0.02 0.00 0.00 175.26 178.34 1tmc s ARG 45 N -1.74 4.30 0.15 1.61 0.52 -1.26 -0.72 118.95 121.81 1tmc s ARG 45 Ca 0.22 2.09 -0.30 0.00 -0.52 0.00 0.00 55.73 57.22 1tmc s ARG 45 Cb -0.12 -3.30 -0.07 0.00 0.52 0.00 0.00 34.95 31.98 1tmc s ARG 45 CO 0.13 -0.48 1.14 0.42 0.02 0.00 0.00 175.30 176.54 1tmc s ILE 46 N 1.33 3.85 0.12 1.52 1.01 0.59 -4.86 121.20 124.77 1tmc s ILE 46 Ca 0.65 1.51 -0.17 0.00 0.00 0.00 0.00 60.65 62.65 1tmc s ILE 46 Cb -0.37 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 1tmc s ILE 46 CO 0.30 0.22 1.67 -0.33 0.00 0.00 0.00 174.94 176.80 1tmc h GLU 47 N 5.55 0.52 -6.16 2.79 4.39 -1.93 -3.42 114.58 116.32 1tmc h GLU 47 Ca -0.44 -0.09 -0.55 0.00 0.34 0.00 0.00 59.36 58.62 1tmc h GLU 47 Cb 1.21 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.74 1tmc h GLU 47 CO 0.75 0.51 0.16 0.21 -1.16 0.00 0.00 179.01 179.48 1tmc s LYS 48 N -5.54 4.47 -0.29 2.33 2.47 -1.26 -5.01 119.74 116.91 1tmc s LYS 48 Ca -0.13 1.03 -0.02 0.00 -1.56 0.00 0.00 55.97 55.29 1tmc s LYS 48 Cb 0.09 -3.44 0.19 0.00 -1.46 0.00 0.00 37.83 33.21 1tmc s LYS 48 CO 0.74 0.06 0.80 0.54 0.16 0.00 0.00 175.35 177.65 1tmc s VAL 49 N 0.75 -0.66 0.52 4.02 0.11 -1.26 -4.76 120.40 119.11 1tmc s VAL 49 Ca 0.41 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.46 1tmc s VAL 49 Cb -0.19 -0.71 0.02 0.00 -1.53 0.00 0.00 36.38 33.97 1tmc s VAL 49 CO 0.21 0.00 0.76 -1.61 -3.33 0.00 0.00 175.10 171.13 1tmc s GLU 50 N 2.89 2.79 0.08 1.54 2.02 0.25 -4.89 118.70 123.38 1tmc s GLU 50 Ca 0.17 -0.54 -0.24 0.00 0.02 0.00 0.00 54.97 54.37 1tmc s GLU 50 Cb -0.07 -2.48 0.06 0.00 0.10 0.00 0.00 34.13 31.74 1tmc s GLU 50 CO -0.24 -0.55 0.59 -3.38 0.02 0.00 0.00 175.26 171.71 1tmc s HIS 51 N -2.72 -0.52 0.99 1.61 -3.43 -1.26 -0.62 115.29 109.34 1tmc s HIS 51 Ca 0.53 0.54 -0.15 0.00 -0.80 0.00 0.00 55.06 55.18 1tmc s HIS 51 Cb -0.10 0.45 0.19 0.00 -1.43 0.00 0.00 32.58 31.69 1tmc s HIS 51 CO 0.39 -0.73 1.20 -1.54 -2.00 0.00 0.00 174.74 172.07 1tmc s SER 52 N -2.16 2.83 0.19 7.38 1.04 -0.32 -4.98 113.70 117.68 1tmc s SER 52 Ca -0.04 0.62 -0.27 0.00 0.48 0.00 0.00 55.95 56.75 1tmc s SER 52 Cb -0.01 -0.91 -0.08 0.00 0.10 0.00 0.00 66.02 65.12 1tmc s SER 52 CO -0.04 -2.94 0.82 -1.81 0.98 0.00 0.00 173.24 170.25 1tmc s ASP 53 N -4.35 7.46 -0.18 7.02 1.01 -1.26 -4.77 116.67 121.61 1tmc s ASP 53 Ca 0.69 1.73 -0.33 0.00 0.71 0.00 0.00 52.55 55.35 1tmc s ASP 53 Cb -0.09 -2.53 -0.10 0.00 1.01 0.00 0.00 42.92 41.21 1tmc s ASP 53 CO 0.53 0.20 2.05 -0.11 0.21 0.00 0.00 175.17 178.05 1tmc n LEU 54 N 1.57 3.15 -4.48 1.23 7.94 -1.26 -4.95 117.00 120.20 1tmc n LEU 54 Ca -0.05 0.64 -0.24 0.00 -1.11 0.00 0.00 56.01 55.24 1tmc n LEU 54 Cb 0.48 -1.40 -0.08 0.00 0.53 0.00 0.00 43.42 42.94 1tmc n LEU 54 CO 0.47 -0.36 -0.19 -0.55 -1.11 0.00 0.00 177.39 175.65 1tmc s SER 55 N 5.98 2.58 0.09 1.96 0.15 -1.25 -5.05 113.70 118.17 1tmc s SER 55 Ca 0.99 -1.65 -0.10 0.00 0.70 0.00 0.00 55.95 55.88 1tmc s SER 55 Cb -0.62 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 1tmc s SER 55 CO 0.46 -0.92 0.23 0.72 1.20 0.00 0.00 173.24 174.93 1tmc s PHE 56 N -3.27 0.08 0.81 3.44 -0.12 -1.26 -2.34 117.98 115.33 1tmc s PHE 56 Ca 0.27 -0.47 -0.05 0.00 -0.05 0.00 0.00 56.93 56.62 1tmc s PHE 56 Cb 0.03 -0.00 0.16 0.00 -0.63 0.00 0.00 43.02 42.58 1tmc s PHE 56 CO 0.16 -0.56 1.11 -1.12 -0.05 0.00 0.00 175.22 174.76 1tmc s SER 57 N -2.77 3.88 0.42 1.98 0.01 -0.70 -4.91 113.70 111.60 1tmc s SER 57 Ca 0.04 -0.24 0.17 0.00 1.31 0.00 0.00 55.95 57.22 1tmc s SER 57 Cb 0.04 0.01 1.07 0.00 0.21 0.00 0.00 66.02 67.35 1tmc s SER 57 CO -0.10 -2.20 1.86 0.50 0.41 0.00 0.00 173.24 173.71 1tmc h LYS 58 N -0.91 0.41 -0.13 12.44 3.64 -2.03 0.18 116.57 130.18 1tmc h LYS 58 Ca -0.38 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1tmc h LYS 58 Cb 1.25 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1tmc h LYS 58 CO 0.38 0.27 0.00 -0.40 -2.27 0.00 0.00 179.45 177.43 1tmc n ASP 59 N -4.51 0.65 0.00 4.20 5.75 -1.26 -4.88 116.55 116.50 1tmc n ASP 59 Ca 0.19 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 1tmc n ASP 59 Cb 0.67 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 1tmc n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1tmc n TRP 60 N -0.15 0.00 -2.43 2.11 7.02 0.65 -5.01 117.44 119.64 1tmc n TRP 60 Ca 0.04 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.14 1tmc n TRP 60 Cb 0.10 -0.37 -0.03 0.00 -2.42 0.00 0.00 31.31 28.59 1tmc n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1tmc s SER 61 N -3.05 6.83 0.68 -0.99 1.04 -1.26 -4.69 113.70 112.27 1tmc s SER 61 Ca 0.00 2.23 -0.11 0.00 0.48 0.00 0.00 55.95 58.55 1tmc s SER 61 Cb 0.00 -2.61 -0.00 0.00 0.10 0.00 0.00 66.02 63.51 1tmc s SER 61 CO 0.00 -0.45 1.08 -0.36 0.98 0.00 0.00 173.24 174.49 1tmc s PHE 62 N -1.41 3.41 -0.12 5.02 0.08 0.54 -1.73 117.98 123.77 1tmc s PHE 62 Ca 0.53 1.12 -0.11 0.00 0.12 0.00 0.00 56.93 58.58 1tmc s PHE 62 Cb -0.29 -2.97 0.03 0.00 -0.57 0.00 0.00 43.02 39.22 1tmc s PHE 62 CO 0.36 -1.05 0.33 1.52 -0.10 0.00 0.00 175.22 176.28 1tmc s TYR 63 N -3.31 -0.36 0.01 0.36 -0.85 -0.99 -1.00 117.35 111.21 1tmc s TYR 63 Ca 0.57 0.88 0.00 0.00 -0.52 0.00 0.00 57.07 58.01 1tmc s TYR 63 Cb -0.11 0.12 -0.01 0.00 0.38 0.00 0.00 41.96 42.35 1tmc s TYR 63 CO 0.52 -0.17 -0.01 -0.51 -1.52 0.00 0.00 175.55 173.86 1tmc s LEU 64 N 0.18 2.06 -0.20 -3.49 1.43 0.10 -3.76 118.68 115.00 1tmc s LEU 64 Ca -0.00 -0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1tmc s LEU 64 Cb -0.02 0.01 -0.00 0.00 0.03 0.00 0.00 46.19 46.20 1tmc s LEU 64 CO 0.00 -0.07 -0.09 -0.22 0.23 0.00 0.00 176.35 176.20 1tmc s LEU 65 N -0.38 2.69 -0.12 1.79 2.96 -1.26 -0.34 118.68 124.02 1tmc s LEU 65 Ca -0.04 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.42 1tmc s LEU 65 Cb -0.03 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 1tmc s LEU 65 CO -0.00 0.01 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.63 1tmc s TYR 66 N 1.29 2.88 0.04 5.38 1.51 0.40 -1.18 117.35 127.68 1tmc s TYR 66 Ca 0.04 -0.40 -0.07 0.00 -1.01 0.00 0.00 57.07 55.63 1tmc s TYR 66 Cb -0.14 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 39.87 1tmc s TYR 66 CO -0.04 -0.04 0.13 1.52 -1.11 0.00 0.00 175.55 176.00 1tmc s TYR 67 N 0.08 0.16 -0.08 2.71 1.13 0.21 0.20 117.35 121.75 1tmc s TYR 67 Ca -0.03 -0.45 -0.20 0.00 -1.41 0.00 0.00 57.07 54.98 1tmc s TYR 67 Cb -0.14 -0.11 0.04 0.00 -1.10 0.00 0.00 41.96 40.65 1tmc s TYR 67 CO 0.04 -0.39 0.48 -0.08 -2.51 0.00 0.00 175.55 173.09 1tmc s THR 68 N -2.66 0.02 0.31 -3.49 -1.32 -0.85 -0.58 115.64 107.07 1tmc s THR 68 Ca -0.04 -0.18 -0.28 0.00 -1.21 0.00 0.00 61.69 59.97 1tmc s THR 68 Cb -0.01 -0.75 -0.09 0.00 -1.51 0.00 0.00 72.50 70.14 1tmc s THR 68 CO -0.05 -0.10 1.10 -0.70 -2.21 0.00 0.00 174.62 172.66 1tmc s GLU 69 N -0.74 4.53 0.14 7.08 2.12 -1.26 -0.25 118.70 130.32 1tmc s GLU 69 Ca -0.08 1.76 -0.18 0.00 0.36 0.00 0.00 54.97 56.83 1tmc s GLU 69 Cb -0.03 -3.06 0.04 0.00 0.26 0.00 0.00 34.13 31.34 1tmc s GLU 69 CO 0.05 0.13 0.46 -0.59 -0.54 0.00 0.00 175.26 174.77 1tmc s PHE 70 N -1.25 -0.28 -0.38 5.30 -0.71 -0.50 -4.85 117.98 115.30 1tmc s PHE 70 Ca 0.47 -0.02 -0.04 0.00 -1.04 0.00 0.00 56.93 56.31 1tmc s PHE 70 Cb -0.30 0.35 0.09 0.00 -1.21 0.00 0.00 43.02 41.94 1tmc s PHE 70 CO 0.39 -0.76 0.16 0.99 -1.34 0.00 0.00 175.22 174.66 1tmc s THR 71 N -3.80 3.40 0.13 -4.49 2.01 -1.26 -3.61 115.64 108.02 1tmc s THR 71 Ca 0.03 -1.75 -0.31 0.00 0.31 0.00 0.00 61.69 59.97 1tmc s THR 71 Cb 0.01 -3.18 -0.09 0.00 0.01 0.00 0.00 72.50 69.25 1tmc s THR 71 CO -0.11 -0.50 1.44 -2.16 -0.69 0.00 0.00 174.62 172.60 1tmc s PRO 72 N 1.23 4.29 0.34 4.92 0.04 -1.26 -5.02 135.00 139.54 1tmc s PRO 72 Ca 0.04 2.16 0.06 0.00 0.04 0.00 0.00 61.00 63.30 1tmc s PRO 72 Cb -0.22 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.08 1tmc s PRO 72 CO -0.02 -0.49 0.22 0.25 0.04 0.00 0.00 177.00 177.00 1tmc n THR 73 N 3.92 0.00 -0.02 1.26 -2.24 -1.26 -4.05 114.28 111.89 1tmc n THR 73 Ca 0.12 -2.27 -0.13 0.00 -2.27 0.00 0.00 64.05 59.50 1tmc n THR 73 Cb 0.41 1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 69.56 1tmc n THR 73 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1tmc h GLU 74 N 0.00 0.06 0.10 -0.78 5.08 -2.02 -3.38 114.58 113.64 1tmc h GLU 74 Ca -0.25 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 57.95 1tmc h GLU 74 Cb 1.13 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.40 1tmc h GLU 74 CO 0.38 0.48 -0.57 0.87 -1.00 0.00 0.00 179.01 179.17 1tmc h LYS 75 N -0.36 0.21 -6.22 2.33 6.56 -2.01 -3.46 116.57 113.61 1tmc h LYS 75 Ca 0.01 -0.36 -0.61 0.00 -1.06 0.00 0.00 60.65 58.63 1tmc h LYS 75 Cb 0.46 0.13 0.01 0.00 -0.57 0.00 0.00 32.23 32.27 1tmc h LYS 75 CO 0.00 1.17 1.19 -0.25 -2.06 0.00 0.00 179.45 179.51 1tmc n ASP 76 N -4.27 3.40 -4.87 0.86 8.00 -1.26 -4.97 116.55 113.44 1tmc n ASP 76 Ca -0.13 0.83 -0.34 0.00 0.71 0.00 0.00 54.79 55.86 1tmc n ASP 76 Cb 0.72 -1.40 -0.05 0.00 -0.02 0.00 0.00 41.12 40.37 1tmc n ASP 76 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1tmc s GLU 77 N 4.59 3.79 0.06 -1.24 2.12 -1.26 -4.66 118.70 122.10 1tmc s GLU 77 Ca 0.95 0.22 0.05 0.00 0.36 0.00 0.00 54.97 56.55 1tmc s GLU 77 Cb -0.64 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 1tmc s GLU 77 CO 0.49 0.49 -0.14 0.71 -0.54 0.00 0.00 175.26 176.26 1tmc s TYR 78 N -1.53 1.21 0.25 5.30 2.02 -1.26 -0.41 117.35 122.94 1tmc s TYR 78 Ca 0.38 -0.43 -0.19 0.00 -0.37 0.00 0.00 57.07 56.46 1tmc s TYR 78 Cb -0.13 -0.69 0.02 0.00 -0.40 0.00 0.00 41.96 40.75 1tmc s TYR 78 CO 0.20 0.05 0.63 0.00 -1.57 0.00 0.00 175.55 174.86 1tmc s ALA 79 N -1.14 -1.00 -0.17 3.71 0.00 -0.47 -0.47 121.76 122.21 1tmc s ALA 79 Ca -0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 51.96 51.59 1tmc s ALA 79 Cb -0.09 0.90 0.04 0.00 0.00 0.00 0.00 23.12 23.96 1tmc s ALA 79 CO 0.02 -0.95 -0.07 0.00 0.00 0.00 0.00 175.76 174.76 1tmc s ARG 81 N 1.58 4.18 -0.02 0.00 3.52 0.10 -1.70 118.95 126.61 1tmc s ARG 81 Ca 0.01 -0.13 0.07 0.00 -0.13 0.00 0.00 55.73 55.55 1tmc s ARG 81 Cb -0.15 -3.46 -0.02 0.00 -1.56 0.00 0.00 34.95 29.77 1tmc s ARG 81 CO -0.08 0.20 -0.23 0.08 -0.81 0.00 0.00 175.30 174.46 1tmc s VAL 82 N 0.62 1.82 -0.05 7.11 1.01 0.15 -0.19 120.40 130.87 1tmc s VAL 82 Ca 0.11 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1tmc s VAL 82 Cb -0.12 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1tmc s VAL 82 CO 0.02 0.51 -0.15 0.21 0.00 0.00 0.00 175.10 175.69 1tmc s ASN 83 N -0.45 1.92 -0.12 3.32 3.84 0.90 -0.49 114.94 123.87 1tmc s ASN 83 Ca 0.06 -0.32 -0.24 0.00 0.21 0.00 0.00 52.86 52.58 1tmc s ASN 83 Cb -0.10 -0.62 0.06 0.00 -0.55 0.00 0.00 41.25 40.04 1tmc s ASN 83 CO -0.00 0.11 0.58 -2.28 -2.79 0.00 0.00 177.10 172.72 1tmc s HIS 84 N 0.22 -0.58 0.58 0.43 2.46 -1.26 -1.00 115.29 116.14 1tmc s HIS 84 Ca -0.07 1.18 0.31 0.00 0.47 0.00 0.00 55.06 56.95 1tmc s HIS 84 Cb -0.12 0.28 1.40 0.00 -0.13 0.00 0.00 32.58 34.01 1tmc s HIS 84 CO 0.02 -0.45 1.77 -0.24 -2.47 0.00 0.00 174.74 173.37 1tmc h VAL 85 N 3.64 0.31 0.00 0.89 3.04 -1.96 0.57 116.25 122.74 1tmc h VAL 85 Ca -0.28 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 1tmc h VAL 85 Cb 1.16 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.89 1tmc h VAL 85 CO 0.28 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.19 1tmc n THR 86 N -3.77 0.06 -4.12 3.17 -2.24 -1.26 -4.84 114.28 101.28 1tmc n THR 86 Ca 0.16 0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.65 1tmc n THR 86 Cb 0.99 -0.54 -0.08 0.00 -2.10 0.00 0.00 70.33 68.61 1tmc n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1tmc s LEU 87 N -2.63 3.54 0.02 3.22 1.43 0.19 -4.98 118.68 119.47 1tmc s LEU 87 Ca 0.25 -0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 1tmc s LEU 87 Cb 0.19 -2.25 -0.24 0.00 0.03 0.00 0.00 46.19 43.92 1tmc s LEU 87 CO 0.45 0.18 0.92 0.28 0.23 0.00 0.00 176.35 178.41 1tmc h SER 88 N 3.44 0.16 -4.79 2.29 0.02 -1.88 -3.46 113.55 109.33 1tmc h SER 88 Ca -0.47 -0.23 -0.19 0.00 -0.84 0.00 0.00 61.79 60.07 1tmc h SER 88 Cb 1.16 -0.05 -0.22 0.00 0.14 0.00 0.00 62.40 63.43 1tmc h SER 88 CO 0.61 1.19 -0.70 -1.10 -1.14 0.00 0.00 176.83 175.68 1tmc s GLN 89 N -2.64 0.28 -0.09 3.45 -1.52 -1.26 -5.11 119.66 112.77 1tmc s GLN 89 Ca -0.05 -0.53 -0.32 0.00 -1.95 0.00 0.00 55.36 52.51 1tmc s GLN 89 Cb 0.08 0.07 -0.10 0.00 -0.22 0.00 0.00 33.01 32.84 1tmc s GLN 89 CO 0.83 -0.04 2.00 -2.30 -0.25 0.00 0.00 175.29 175.53 1tmc n PRO 90 N 1.81 2.28 -2.55 2.91 -0.02 -1.26 -4.93 135.00 133.23 1tmc n PRO 90 Ca -0.22 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.64 1tmc n PRO 90 Cb 0.56 -2.85 -0.04 0.00 -0.02 0.00 0.00 33.50 31.15 1tmc n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1tmc s LYS 91 N 4.78 4.61 -0.06 -0.52 2.20 0.36 -4.76 119.74 126.35 1tmc s LYS 91 Ca 0.94 1.68 0.04 0.00 -0.36 0.00 0.00 55.97 58.27 1tmc s LYS 91 Cb -0.56 -3.29 -0.00 0.00 -1.51 0.00 0.00 37.83 32.46 1tmc s LYS 91 CO 0.46 0.10 -0.19 0.42 -0.36 0.00 0.00 175.35 175.77 1tmc s ILE 92 N -0.21 1.66 -0.14 5.43 1.01 -1.26 0.29 121.20 127.98 1tmc s ILE 92 Ca 0.49 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 60.34 1tmc s ILE 92 Cb -0.29 -1.43 0.02 0.00 0.01 0.00 0.00 42.46 40.77 1tmc s ILE 92 CO 0.34 0.47 -0.16 -0.69 0.00 0.00 0.00 174.94 174.90 1tmc s VAL 93 N 0.20 1.65 0.23 2.92 1.01 -0.69 -4.96 120.40 120.77 1tmc s VAL 93 Ca -0.10 -0.71 -0.24 0.00 0.00 0.00 0.00 61.98 60.93 1tmc s VAL 93 Cb -0.14 -1.51 -0.09 0.00 0.00 0.00 0.00 36.38 34.63 1tmc s VAL 93 CO 0.05 0.47 0.83 -0.54 0.00 0.00 0.00 175.10 175.90 1tmc s LYS 94 N 1.20 4.52 0.02 2.72 1.02 -1.26 -1.23 119.74 126.72 1tmc s LYS 94 Ca -0.01 1.16 -0.30 0.00 0.02 0.00 0.00 55.97 56.84 1tmc s LYS 94 Cb -0.14 -3.03 -0.05 0.00 -0.52 0.00 0.00 37.83 34.09 1tmc s LYS 94 CO -0.06 0.44 1.26 -0.46 -0.92 0.00 0.00 175.35 175.60 1tmc s TRP 95 N -1.39 3.22 -0.23 3.18 -0.00 0.38 -4.90 118.94 119.19 1tmc s TRP 95 Ca 0.42 1.14 0.02 0.00 -0.00 0.00 0.00 56.10 57.68 1tmc s TRP 95 Cb -0.20 -3.50 0.05 0.00 -0.00 0.00 0.00 33.47 29.81 1tmc s TRP 95 CO 0.25 -1.65 -0.13 0.34 -0.00 0.00 0.00 176.95 175.76 1tmc s ASP 96 N 1.37 3.95 0.43 5.86 -1.08 -1.26 -4.74 116.67 121.20 1tmc s ASP 96 Ca 0.60 -1.13 0.27 0.00 -0.52 0.00 0.00 52.55 51.76 1tmc s ASP 96 Cb -0.29 -1.48 1.46 0.00 -1.46 0.00 0.00 42.92 41.15 1tmc s ASP 96 CO 0.27 -0.14 1.81 0.08 0.52 0.00 0.00 175.17 177.71 1tmc h ARG 97 N 7.85 0.00 -0.04 4.34 0.11 -1.95 -0.87 114.38 123.82 1tmc h ARG 97 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.81 1tmc h ARG 97 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 1tmc h ARG 97 CO 0.51 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.33 1tmc n ASP 98 N -2.47 0.79 0.00 0.08 8.00 -1.26 -4.63 116.55 117.06 1tmc n ASP 98 Ca -0.02 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.08 1tmc n ASP 98 Cb 0.09 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1tmc n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04